5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

C12H18F3N3O — CID 80858384

IUPAC5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)(F)F)c1C(C)C
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-10-9(8(2)3)11(18-7-17-10)19-6-12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyMJBIQXBXVVNYCM-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.36
Rot. Bonds6

About 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine

5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (PubChem CID 80858384) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
PubChem CID80858384
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine
SMILESCCCNc1ncnc(OCC(F)(F)F)c1C(C)C
InChIInChI=1S/C12H18F3N3O/c1-4-5-16-10-9(8(2)3)11(18-7-17-10)19-6-12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17,18)
InChIKeyMJBIQXBXVVNYCM-UHFFFAOYSA-N
XLogP3.36
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-methylpentoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 103286435
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 102989487
6-(4-fluorophenoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80865732
5-propan-2-yl-N-propyl-6-(2-pyrrolidin-1-ylethoxy)pyrimidin-4-amine
CID 80879410
6-(oxan-4-yloxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80872308
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-(2-methylsulfonylethyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80790474
6-(1-methylpyrazol-4-yl)oxy-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 116794391
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
N-methyl-5-propan-2-yl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794977

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The IUPAC name of 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine (CID 80858384) is 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The canonical SMILES for 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is CCCNc1ncnc(OCC(F)(F)F)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
The InChIKey is MJBIQXBXVVNYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-4-5-16-10-9(8(2)3)11(18-7-17-10)19-6-12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,17,18).
What are the key properties of 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine?
5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine has a molecular weight of 277.29 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-propyl-6-(2,2,2-trifluoroethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80858384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).